2-[6-[(4-bromanyl-2-methyl-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-bromanyl-2-methyl-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(4-bromo-2-methyl-phenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(4-bromo-2-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(4-bromo-2-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(4-bromo-2-methyl-phenyl)sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O

InChI

InChI=1S/C17H15BrN2O6S/c1-10-6-11(18)2-4-13(10)19-27(24,25)12-3-5-15-14(7-12)20(8-17(22)23)16(21)9-26-15/h2-7,19H,8-9H2,1H3,(H,22,23)